CID 67827

Hexafluoroglutaric acid

Structural Information

Molecular Formula
C5H2F6O4
SMILES
C(=O)(C(C(C(C(=O)O)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)
InChIKey
CCUWGJDGLACFQT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluoropentanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

2345
Patents

239.98573 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99301 136.0
[M+Na]+ 262.97495 144.2
[M-H]- 238.97845 126.5
[M+NH4]+ 258.01955 151.5
[M+K]+ 278.94889 142.9
[M+H-H2O]+ 222.98299 128.1
[M+HCOO]- 284.98393 145.5
[M+CH3COO]- 298.99958 185.2
[M+Na-2H]- 260.96040 139.8
[M]+ 239.98518 126.6
[M]- 239.98628 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe